5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine

C12H16BrN3O2 — CID 61227864

IUPAC5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCCC1CCCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-7-11(16(17)18)12(15-8-10)14-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,14,15)
InChIKeyGAIJOGDPAOHNSJ-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.74
Rot. Bonds5

About 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine

5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine (PubChem CID 61227864) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
PubChem CID61227864
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCCC1CCCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-7-11(16(17)18)12(15-8-10)14-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,14,15)
InChIKeyGAIJOGDPAOHNSJ-UHFFFAOYSA-N
XLogP3.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(5-bromo-3-nitro-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384900
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542196
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
3-[(5-bromo-3-nitro-2-pyridinyl)amino]propanoic acid
CID 61229415
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2,2-dimethylbutanoic acid
CID 114285521
5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61229223
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(2-methylsulfinylethyl)-3-nitropyridin-2-amine
CID 75381292
5-bromo-N-[2-[(R)-methylsulfinyl]ethyl]-3-nitropyridin-2-amine
CID 97227168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine (CID 61227864) is 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1cc(Br)cnc1NCCC1CCCC1.
What is the InChIKey of 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine?
The InChIKey is GAIJOGDPAOHNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-10-7-11(16(17)18)12(15-8-10)14-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,14,15).
What are the key properties of 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine?
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine has a molecular weight of 314.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 61227864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).